3-ethyl-5-(trifluoromethyl)pyridine;1-[6-[(5-methoxy-3-pyridinyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]ethanone

C24H26F3N3O2S — CID 165142841

IUPAC3-ethyl-5-(trifluoromethyl)pyridine;1-[6-[(5-methoxy-3-pyridinyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]ethanone
SMILESCCc1cncc(C(F)(F)F)c1.COc1cncc(CN2CCc3c(C(C)=O)csc3C2)c1
InChIInChI=1S/C16H18N2O2S.C8H8F3N/c1-11(19)15-10-21-16-9-18(4-3-14(15)16)8-12-5-13(20-2)7-17-6-12;1-2-6-3-7(5-12-4-6)8(9,10)11/h5-7,10H,3-4,8-9H2,1-2H3;3-5H,2H2,1H3
InChIKeyZEYZWLCSPUHIQE-UHFFFAOYSA-N
MW477.55 g/mol
LogP5.58
Rot. Bonds5

About 3-ethyl-5-(trifluoromethyl)pyridine;1-[6-[(5-methoxy-3-pyridinyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]ethanone

3-ethyl-5-(trifluoromethyl)pyridine;1-[6-[(5-methoxy-3-pyridinyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]ethanone (PubChem CID 165142841) has the molecular formula C24H26F3N3O2S and a molecular weight of 477.55 g/mol. Its IUPAC name is 3-ethyl-5-(trifluoromethyl)pyridine;1-[6-[(5-methoxy-3-pyridinyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]ethanone.

Molecular Properties

Compound Name3-ethyl-5-(trifluoromethyl)pyridine;1-[6-[(5-methoxy-3-pyridinyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]ethanone
PubChem CID165142841
Molecular FormulaC24H26F3N3O2S
Molecular Weight477.55 g/mol
Exact Mass477.17
IUPAC Name3-ethyl-5-(trifluoromethyl)pyridine;1-[6-[(5-methoxy-3-pyridinyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]ethanone
SMILESCCc1cncc(C(F)(F)F)c1.COc1cncc(CN2CCc3c(C(C)=O)csc3C2)c1
InChIInChI=1S/C16H18N2O2S.C8H8F3N/c1-11(19)15-10-21-16-9-18(4-3-14(15)16)8-12-5-13(20-2)7-17-6-12;1-2-6-3-7(5-12-4-6)8(9,10)11/h5-7,10H,3-4,8-9H2,1-2H3;3-5H,2H2,1H3
InChIKeyZEYZWLCSPUHIQE-UHFFFAOYSA-N
XLogP5.58
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.55
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-ethyl-3-(trifluoromethyl)benzene;1-[6-[[5-(1-sulfanylidene-1,4-thiazinan-4-yl)-3-pyridinyl]methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]ethanone
CID 165142895
6-[(2-aminopyrimidin-5-yl)methyl]-N-[5-(trifluoromethyl)-3-pyridinyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 171730169
6-(pyridin-3-ylmethyl)-N-[3-(trifluoromethyl)phenyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 165142951
N-[3-fluoro-5-(trifluoromethyl)phenyl]-6-[[2-(methylamino)pyrimidin-5-yl]methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 165142953
1-[6-[(6-amino-5-methanimidoyl-3-pyridinyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]ethanone
CID 165143241
N-[3-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-5-(trifluoromethyl)phenyl]-6-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 171730170
N-[3-[[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methyl]-5-(trifluoromethyl)phenyl]-6-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 165142847
6-(pyrazolo[1,5-a]pyrimidin-6-ylmethyl)-N-[3-(trifluoromethyl)phenyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 165143290
6-[(2-aminopyrimidin-5-yl)methyl]-N-[3-(1,1-difluoroethyl)phenyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 165142840
6-[[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]methyl]-N-[3-(trifluoromethyl)phenyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 165142942
ethyl 6-(pyrazolo[1,5-a]pyrimidin-6-ylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 172516976
1-ethyl-6-[(5-methoxy-3-pyridinyl)methyl]-2-phenyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-one
CID 134810285

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-(trifluoromethyl)pyridine;1-[6-[(5-methoxy-3-pyridinyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]ethanone?
The IUPAC name of 3-ethyl-5-(trifluoromethyl)pyridine;1-[6-[(5-methoxy-3-pyridinyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]ethanone (CID 165142841) is 3-ethyl-5-(trifluoromethyl)pyridine;1-[6-[(5-methoxy-3-pyridinyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]ethanone.
What is the SMILES notation for 3-ethyl-5-(trifluoromethyl)pyridine;1-[6-[(5-methoxy-3-pyridinyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]ethanone?
The canonical SMILES for 3-ethyl-5-(trifluoromethyl)pyridine;1-[6-[(5-methoxy-3-pyridinyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]ethanone is CCc1cncc(C(F)(F)F)c1.COc1cncc(CN2CCc3c(C(C)=O)csc3C2)c1.
What is the InChIKey of 3-ethyl-5-(trifluoromethyl)pyridine;1-[6-[(5-methoxy-3-pyridinyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]ethanone?
The InChIKey is ZEYZWLCSPUHIQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S.C8H8F3N/c1-11(19)15-10-21-16-9-18(4-3-14(15)16)8-12-5-13(20-2)7-17-6-12;1-2-6-3-7(5-12-4-6)8(9,10)11/h5-7,10H,3-4,8-9H2,1-2H3;3-5H,2H2,1H3.
What are the key properties of 3-ethyl-5-(trifluoromethyl)pyridine;1-[6-[(5-methoxy-3-pyridinyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]ethanone?
3-ethyl-5-(trifluoromethyl)pyridine;1-[6-[(5-methoxy-3-pyridinyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]ethanone has a molecular weight of 477.55 g/mol, XLogP of 5.58, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-(trifluoromethyl)pyridine;1-[6-[(5-methoxy-3-pyridinyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]ethanone is sourced from PubChem (CID 165142841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).